| CAS Number | 1246088-59-4 |
| Catalog Number | AG00HHQ4(AGN-PC-0WAO5E) |
| Chemical Name | 5-Fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| IUPAC Name | 5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H4FIN2O2/c9-5-4(8(13)14)3-1-2-11-7(3)12-6(5)10/h1-2H,(H,11,12)(H,13,14) |
| InChI Key | BZYLLSIPXQAKJK-UHFFFAOYSA-N |
| MDL Number | MFCD17171312 |
| Molecular Formula | C8H4FIN2O2 |
| Molecular Weight | 306.0324 |
| SMILES | OC(=O)c1c(F)c(I)nc2c1cc[nH]2 |
| Synonyms | 5-Fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid,
1246088-59-4,
AC1Q72OF,
CTK7I6289,
DTXSID20678447,
MFCD17171312,
ZINC66054229,
AKOS015854274,
TR-072214,
CS-0088297,
A-6299,
5-Fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid, AldrichCPR,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.035g/mol |
| Monoisotopic Mass | 305.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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